Monocrotaline hydrochloride
TL;DR: Monocrotaline hydrochloride (CAS 901-82-6) is a chemical compound with molecular formula C16H24ClNO6 and molecular weight 361.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4R,5R,6R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione;hydrochloride
Also Known As: Monocrotaline hydrochloride, Monocrotalin hydrochloride, Monocrotaline, hydrochloride, MONOCROTALINE HYDROC [MI], (3r,4r,5r,13ar,13br)-4,5-dihydroxy-3,4,5-trimethyl-4,5,8,10,12,13,13a,13b-octahydro-2h-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3h)-dione hydrochloride(1:1)
| Molecular Formula | C16H24ClNO6 |
|---|---|
| Molecular Weight | 361.13 g/mol |
| LogP | 0.03 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 361.1292 |
| Heavy Atoms | 24 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 901-82-6 |
|---|---|
| SMILES | C[C@H]1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]1(C)O)(C)O.Cl |
| InChIKey | DYMOTPRLTOPMKK-HIKKEBQLSA-N |
Product Overview
Monocrotaline hydrochloride (CAS 901-82-6), with molecular formula C16H24ClNO6 and molecular weight 361.13 g/mol. IUPAC: (1R,4R,5R,6R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione;hydrochloride.
Chemical Property Profile of Monocrotaline hydrochloride
Property Insights of Monocrotaline hydrochloride
The XLogP value of 0.03 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Monocrotaline hydrochloride. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Monocrotaline hydrochloride. Following Lipinski's Rule of Five, Monocrotaline hydrochloride has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Monocrotaline hydrochloride?
The CAS number of Monocrotaline hydrochloride is 901-82-6.
What is the molecular formula of Monocrotaline hydrochloride?
The molecular formula of Monocrotaline hydrochloride is C16H24ClNO6.
What is the molecular weight of Monocrotaline hydrochloride?
The molecular weight of Monocrotaline hydrochloride is 361.13 g/mol.
Where can I buy Monocrotaline hydrochloride?
You can request a quote for Monocrotaline hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Monocrotaline hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Monocrotaline hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.